2-amino-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetic acid

C8H6F3N5O2 — CID 84806708

IUPAC2-amino-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetic acid
SMILESNC(C(=O)O)c1cnc2nc(C(F)(F)F)nn2c1
InChIInChI=1S/C8H6F3N5O2/c9-8(10,11)6-14-7-13-1-3(2-16(7)15-6)4(12)5(17)18/h1-2,4H,12H2,(H,17,18)
InChIKeyUPQOBZFMMKEOBV-UHFFFAOYSA-N
MW261.16 g/mol
LogP0.23
Rot. Bonds2

About 2-amino-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetic acid

2-amino-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetic acid (PubChem CID 84806708) has the molecular formula C8H6F3N5O2 and a molecular weight of 261.16 g/mol. Its IUPAC name is 2-amino-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetic acid
PubChem CID84806708
Molecular FormulaC8H6F3N5O2
Molecular Weight261.16 g/mol
Exact Mass261.05
IUPAC Name2-amino-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetic acid
SMILESNC(C(=O)O)c1cnc2nc(C(F)(F)F)nn2c1
InChIInChI=1S/C8H6F3N5O2/c9-8(10,11)6-14-7-13-1-3(2-16(7)15-6)4(12)5(17)18/h1-2,4H,12H2,(H,17,18)
InChIKeyUPQOBZFMMKEOBV-UHFFFAOYSA-N
XLogP0.23
TPSA106.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.16
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetic acid
CID 84728495
2-[6-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid
CID 84729511
2-[2-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid
CID 84802814
2-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetic acid
CID 84803125
2-Amino-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol
CID 84803300
2-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid
CID 84806527
2-Amino-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid
CID 84806528
1-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carboxylic acid
CID 84809754
2-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]butanoic acid
CID 84810466
2-[(5-Fluoropyrimidin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 104605998
2,2-Difluoro-2-{pyrazolo[1,5-a]pyrimidin-6-yl}acetic acid
CID 165836198
2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidine-3-carboxylic acid
CID 175340559

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetic acid?
The IUPAC name of 2-amino-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetic acid (CID 84806708) is 2-amino-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetic acid?
The canonical SMILES for 2-amino-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetic acid is NC(C(=O)O)c1cnc2nc(C(F)(F)F)nn2c1.
What is the InChIKey of 2-amino-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetic acid?
The InChIKey is UPQOBZFMMKEOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N5O2/c9-8(10,11)6-14-7-13-1-3(2-16(7)15-6)4(12)5(17)18/h1-2,4H,12H2,(H,17,18).
What are the key properties of 2-amino-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetic acid?
2-amino-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetic acid has a molecular weight of 261.16 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetic acid is sourced from PubChem (CID 84806708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).